1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide

C24H17F5N2O2 — CID 50897573

IUPAC1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
InChIInChI=1S/C24H17F5N2O2/c25-19-6-4-18(21(26)12-19)14-31-9-8-16-11-17(5-7-22(16)31)23(32)30-13-15-2-1-3-20(10-15)33-24(27,28)29/h1-12H,13-14H2,(H,30,32)
InChIKeyGENQANXQVPXRHK-UHFFFAOYSA-N
MW460.40 g/mol
LogP5.80
Rot. Bonds6

About 1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide

1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide (PubChem CID 50897573) has the molecular formula C24H17F5N2O2 and a molecular weight of 460.40 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide
PubChem CID50897573
Molecular FormulaC24H17F5N2O2
Molecular Weight460.40 g/mol
Exact Mass460.12
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
InChIInChI=1S/C24H17F5N2O2/c25-19-6-4-18(21(26)12-19)14-31-9-8-16-11-17(5-7-22(16)31)23(32)30-13-15-2-1-3-20(10-15)33-24(27,28)29/h1-12H,13-14H2,(H,30,32)
InChIKeyGENQANXQVPXRHK-UHFFFAOYSA-N
XLogP5.80
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.40
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide (CID 50897573) is 1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide is O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide?
The InChIKey is GENQANXQVPXRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N2O2/c25-19-6-4-18(21(26)12-19)14-31-9-8-16-11-17(5-7-22(16)31)23(32)30-13-15-2-1-3-20(10-15)33-24(27,28)29/h1-12H,13-14H2,(H,30,32).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide?
1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide has a molecular weight of 460.40 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide is sourced from PubChem (CID 50897573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).